Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D7GF4GV7QR
EPA CompTox DTXSID60188732

Structure

InChI Key JIUFYGIESXPUPL-UHFFFAOYSA-N
Smiles CC(C)CCC=C
InChI
InChI=1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14
Molecular Weight 98.11
AlogP 2.61
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3524-73-0
NORMAN SUSDAT
FDA SRS D7GF4GV7QR
PubChem 77058
ChemSpider 69504.0